Journal of Chemical Physics

Journal of Chemical Physics, Vol.109, No.16 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (59 articles)

6519 - 6522	Configurational temperature : Verification of Monte Carlo simulations Butler BD, Ayton O, Jepps OG, Evans DJ
6523 - 6526	Molecular simulation of the intercrystalline phase of chain molecules Balijepalli S, Rutledge GC
6527 - 6532	Equivalent-core calculation of core-level relaxation energies in photoelectron spectroscopy : A molecular-orbital approach Chen Y, Zhuang G, Ross PN, Van Hove MA, Fadley CS
6533 - 6539	Exact distribution function for discrete time correlated random walks in one dimension Hanneken JW, Franceschetti DR
6540 - 6549	Converging toward a practical solution of the Holstein molecular crystal model Romero AH, Brown DW, Lindenberg K
6550 - 6556	Time-dependent and time-independent approaches to study effects of degenerate electronic states Baer M, Yahalom A, Englman R
6557 - 6563	Time correlation functions in low-dimensional conservative chaotic systems : A memory function approach Munakata T, Hussien HAZ, Nakamura Y
6564 - 6570	Product-operator formalism in I >= 1/2 and S >= 3/2 J-coupled nuclear spins : Application to J assessment via SEDOR experiment Capuani S, De Luca F, Maraviglia B
6571 - 6576	An efficient direct method for geometry optimization of large molecules in internal coordinates Paizs B, Fogarasi G, Pulay P
6577 - 6595	Theory of vibrational relaxation processes in resonant collisions of low-energy electrons with large molecules Thoss M, Domcke W
6596 - 6600	Electron impact ionization of the SF5 and SF3 free radicals Tarnovsky V, Deutsch H, Martus KE, Becker K
6601 - 6614	Resonant ion-dip infrared spectroscopy of the S-4 and D-2d wafer octamers in benzene-(water)(8) and benzene(2)-(water)(8) Gruenloh CJ, Carney JR, Hagemeister FC, Arrington CA, Zwier TS, Fredericks SY, Wood JT, Jordan KD
6615 - 6625	Theoretical study of ion-molecule potentials for He+ and Li+ with N-2 Falcetta MF, Siska PE
6626 - 6630	Structural and electronic properties of small Cu-n clusters using generalized-gradient approximations within density functional theory Massobrio C, Pasquarello A, Dal Corso A
6631 - 6640	Bond-selective photofragmentation of jet-cooled HOD at 193 nm : Vibrationally mediated photochemistry with zero-point excitation Plusquellic DF, Votava O, Nesbitt DJ
6641 - 6646	New aspects of the photodissociation of water in the first absorption band : How strong is excitation of the first triplet state? Schroder T, Schinke R, Ehara M, Yamashita K
6647 - 6654	Helicity of orientation parameters of photofragments in fluorescence-imaging experiments Chen KM, Pei CC
6655 - 6665	Two-photon ionization spectroscopy and all-electron ab initio study of LiCa Russon LM, Rothschopf GK, Morse MD, Boldyrev AI, Simons J
6666 - 6683	High-resolution absorption spectrum of jet-cooled CS2 between 70500 and 81550 cm(-1) : np and nf Rydberg series converging to the first ionization potential Cossart-Magos C, Jungen M, Launay F
6684 - 6690	Line-mixing effects in He- and N-2-broadened Sigma <-> II infrared Q branches of N2O Bouanich JP, Hartmann JM, Blanquet G, Walrand J, Bermejo D, Domenech JL
6691 - 6700	Relaxation dynamics of C-60 Walsh TR, Wales DJ
6701 - 6713	Three-body collision contributions to recombination and collision-induced dissociation. I. Cross sections Pack RT, Walker RB, Kendrick BK
6714 - 6724	Three-body collision contributions to recombination and collision-induced dissociation. II. Kinetics Pack RT, Walker RB, Kendrick BK
6725 - 6735	Lifetimes and transition dipole moment functions of NaK low lying singlet states : Empirical and ab initio approach Tamanis M, Auzinsh M, Klincare I, Nikolayeva O, Ferber R, Zaitsevskii A, Pazyuk EA, Stolyarov AV
6736 - 6744	State-to-state vibrational relaxation from levels at state densities up to 2.3 states per cm(-1) in p-difluorobenzene Mudjijono, Lawrance WD
6745 - 6752	X-ray excited optical luminescence (XEOL) detection of x-ray absorption fine structure (XAFS) Soderholm L, Liu GK, Antonio MR, Lytle FW
6753 - 6763	A Monte Carlo study of metastable structures of the cyanoadamantane crystal Kuchta B, Descamps M, Affouard F
6764 - 6771	Comparison of infrared and Raman wave numbers of neat molecular liquids : Which is the correct infrared wave number to use? Bertie JE, Michaelian KH
6772 - 6779	Gas diffusion in random binary media Burganos VN
6780 - 6790	Comparison of photon echo, hole burning, and single molecule spectroscopy data on low-temperature dynamics of organic amorphous solids Zilker SJ, Kador L, Friebel J, Vainer YG, Kol'chenko MA, Personov RI
6791 - 6799	Geometry and tunneling dynamics of CHD2 groups in aspirin : A single-crystal deuteron nuclear magnetic resonance study Detken A, Zimmermann H
6800 - 6808	Crystal-field splitting, magnetic interaction, and vibronic excitations of Cm-244(3+) in YPO4 and LuPO4 Liu GK, Li ST, Zhorin VV, Loong CK, Abraham MM, Boatner LA
6809 - 6813	Measurements of the infrared spectra and vapor pressure of the system carbon dioxide acetylene at cryogenic temperatures Gough TE, Rowat TE
6814 - 6819	Radial distribution functions for a multicomponent system of sticky hard spheres Santos A, Yuste SB, de Haro ML
6820 - 6827	Solid-liquid equilibrium of dipolar heteronuclear hard dumbbells in a generalized van der Waals theory : Application to methyl chloride Gay SC, Beale PD, Rainwater JC
6828 - 6838	Calculation of macroscopic first-, second-, and third-order optical susceptibilities for the urea crystal Reis H, Papadopoulos MG, Munn RW
6839 - 6843	Density-functional study of hydration of sodium in water clusters Ramaniah LM, Bernasconi M, Parrinello M
6844 - 6853	Mixing and segregation in binary polar-molecule clusters Molinero V, Laria D, Kapral R
6854 - 6860	A density functional study of clean and hydrogen-covered alpha-MoO3(010) : Electronic structure and surface relaxation Chen M, Waghmare UV, Friend CM, Kaxiras E
6861 - 6868	Polyelectrolyte adsorption onto an initially-bare solid surface of opposite electrical charge Sukhishvili SA, Granick S
6869 - 6878	Kinetic regimes of polyelectrolyte exchange between the adsorbed state and free solution Sukhishvili SA, Granick S
6879 - 6888	Dynamics and kinetics of oxygen dissociative adsorption on Pt{110}(1x2) Walker AV, Klotzer B, King DA
6889 - 6897	Transition from static to kinetic friction in a model lubricated system Demirel AL, Granick S
6898 - 6904	Determination of vibrational energy relaxation rates of C-H,D,T stretching modes on hydrogen, deuterium, and tritium-terminated H,D,T/C(111) and H,D,T/C(110) diamond surfaces using molecular dynamics simulation : Thermal effect Lu HF, Ho MS, Hong SC, Liu AH, Wu PF, Sun YC
6905 - 6910	Electrokinetic properties of colloids of variable charge. II. Electric birefringence versus dielectric properties Mantegazza F, Bellini T, Degiorgio V, Delgado AV, Arroyo FJ
6911 - 6915	Spin polarization and the energetics of chlorine adsorption on the GaAs(110) surface Kang HC
6916 - 6928	Pump-probe spectra of linear molecular aggregates : Effect of exciton-exciton interaction and higher molecular levels Juzeliunas G, Reineker P
6929 - 6939	The anomalous adsorbate dynamics at surfaces in porous media studied by nuclear magnetic resonance methods. The orientational structure factor and Levy walks Zavada Z, Kimmich R
6940 - 6946	Bulk effects in Thermal Desorption Spectroscopy Castro FJ, Sanchez AD, Meyer G
6947 - 6955	Inelastic multiphonon helium scattering from a stepped Ni(977) surface Gaspar DJ, Hanbicki AT, Sibener SJ
6956 - 6972	Kinetic theory and hydrodynamics of rigid body fluids Grmela M, Lafleur PG
6973 - 6981	Suspensions of fibers in viscoelastic fluids : Rheology Grmela M, Ait-Kadi A, Lafleur PG
6982 - 6994	Relation between some secondary relaxations and the alpha relaxations in glass-forming materials according to the coupling model Ngai KL
6995 - 7000	On the origin of the thermodynamic stability of lyotropic lamellar liquid crystals Ruckenstein E
7001 - 7004	Correlation dimension as a measure of surface roughness of protein molecules Choi JH, Kim H, Lee S
7005 - 7010	Atomic structure of solid and liquid polyethylene oxide Johnson JA, Saboungi ML, Price DL, Ansell S, Russell TP, Halley JW, Nielsen B
7011 - 7016	Bond fluctuation model of polymers in random media Dua A, Cherayil BJ
7017 - 7027	Semiflexible polymer brushes : A scaling theory Kuznetsov DV, Chen ZY
7028 - 7037	Perturbation of local equilibrium by a chemical wave front Lemarchand A, Nawakowski B